UCSF

ZINC37039753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.25 0.16 -92.2 5 5 2 64 230.356 4
Hi High (pH 8-9.5) -1.25 -0.23 -33.84 4 5 1 63 229.348 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )